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1680-29-1 | Decanethioic acid, S-methyl ester
CAS No: 1680-29-1 Catalog No: AG001XQK MDL No:
Product Description
Catalog Number:
AG001XQK
Chemical Name:
Decanethioic acid, S-methyl ester
CAS Number:
1680-29-1
Molecular Formula:
C11H22OS
Molecular Weight:
202.3568
IUPAC Name:
S-methyl decanethioate
InChI:
InChI=1S/C11H22OS/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
InChI Key:
ZEBQAJHDEMWJOU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)SC
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.139g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.356g/mol
Monoisotopic Mass:
202.139g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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